2-chloro-N-ethylpyridine-4-carboxamide

• ChemBase ID: 308000
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: C(=O)(c1cc(ncc1)Cl)NCC
• Canonical SMILES: CCNC(=O)c1ccnc(c1)Cl
• InChI: InChI=1S/C8H9ClN2O/c1-2-10-8(12)6-3-4-11-7(9)5-6/h3-5H,2H2,1H3,(H,10,12)
• InChIKey: BVBWRYILTVQFEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-ethylpyridine-4-carboxamide
• IUPAC Traditional name: 2-chloro-N-ethylpyridine-4-carboxamide
• Synonyms: 2-chloro-N-ethylisonicotinamide

Database IDs

• CAS Number: 131418-17-2
• MDL Number: MFCD09862948

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.010919
• LogD (pH = 7.4): 1.0109195
• Log P: 1.0109196
• Molar Refractivity: 48.4909 cm^3
• Polarizability: 17.92126 Å^3
• Polar Surface Area: 41.99 Å^2